Hello, On Wed, Sep 25, 2013 at 5:48 PM, rajat desikan <rajatdesi...@gmail.com>wrote:
> I have a dopc+50% cholesterol bilayer. I want to selectively choose the > upper and lower leaflets. I used g_select the following way > g_select -s DOPC_0.5chl.gro -select 'resname DOPC and resname Cholesterol > and z>6' (6 is the COM of my box) > > I am getting the following error. > Possible bug: > one of the values for comparison missing > > g_select -s DOPC_0.5chl.gro -select 'resname DOPC and resname Cholesterol' > works perfectly fine. What is the problem? > Your problem is that 'resname DOPC and resname Cholesterol' by definition selects zero atoms. Try 'resname DOPC Cholesterol' instead. I will fix the error message, but most likely not in any upcoming 4.6.x releases. You may also find that unless you bilayer is very flat and static, you don't get exactly the atoms you want. Try 'resname DOPC Cholesterol and res_com z > 6'. Best regards, Teemu -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
